1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one

C14H18N2O — CID 61295900

IUPAC1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESNC1CCCN(C(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C14H18N2O/c15-13-7-4-10-16(11-13)14(17)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11,15H2
InChIKeyGZDXBZBVPUBIBU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.65
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one

1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 61295900) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID61295900
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESNC1CCCN(C(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C14H18N2O/c15-13-7-4-10-16(11-13)14(17)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11,15H2
InChIKeyGZDXBZBVPUBIBU-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[(3R)-3-aminopiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 102978536
1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one
CID 77061668
1-(3-aminopiperidin-1-yl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 126795120
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 78989359
1-(3-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 126772039
(E)-3-phenyl-1-(3-phenylazepan-1-yl)prop-2-en-1-one
CID 90608464
(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82234987
1-(3-aminopiperidin-1-yl)-3-(2,6-difluorophenyl)prop-2-en-1-one;hydrochloride
CID 126774517
2-[4-[3-(3-aminopiperidin-1-yl)-3-oxoprop-1-enyl]phenoxy]acetamide;hydrochloride
CID 126781826
(E)-1-[(3R)-3-aminopiperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 102978534
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 81468865
1-(3-aminopiperidin-1-yl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 126795116

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one (CID 61295900) is 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one is NC1CCCN(C(=O)C=Cc2ccccc2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is GZDXBZBVPUBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-13-7-4-10-16(11-13)14(17)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11,15H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one?
1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 61295900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).